N-ethyl-2,2,3,3-tetramethyl-N'-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]azetidine-1-carboximidamide;hydroiodide

C17H32F3IN4 — CID 109454341

IUPACN-ethyl-2,2,3,3-tetramethyl-N'-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]azetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CCN(CC(F)(F)F)C1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C17H31F3N4.HI/c1-6-21-14(24-11-15(2,3)16(24,4)5)22-9-13-7-8-23(10-13)12-17(18,19)20;/h13H,6-12H2,1-5H3,(H,21,22);1H
InChIKeyUFRWBPVWGWVVNJ-UHFFFAOYSA-N
MW476.37 g/mol
LogP3.57
Rot. Bonds4

About N-ethyl-2,2,3,3-tetramethyl-N'-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]azetidine-1-carboximidamide;hydroiodide

N-ethyl-2,2,3,3-tetramethyl-N'-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]azetidine-1-carboximidamide;hydroiodide (PubChem CID 109454341) has the molecular formula C17H32F3IN4 and a molecular weight of 476.37 g/mol. Its IUPAC name is N-ethyl-2,2,3,3-tetramethyl-N'-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]azetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-2,2,3,3-tetramethyl-N'-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]azetidine-1-carboximidamide;hydroiodide
PubChem CID109454341
Molecular FormulaC17H32F3IN4
Molecular Weight476.37 g/mol
Exact Mass476.16
IUPAC NameN-ethyl-2,2,3,3-tetramethyl-N'-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]azetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CCN(CC(F)(F)F)C1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C17H31F3N4.HI/c1-6-21-14(24-11-15(2,3)16(24,4)5)22-9-13-7-8-23(10-13)12-17(18,19)20;/h13H,6-12H2,1-5H3,(H,21,22);1H
InChIKeyUFRWBPVWGWVVNJ-UHFFFAOYSA-N
XLogP3.57
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2,2,3,3-tetramethyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]azetidine-1-carboximidamide;hydroiodide
CID 109452064
N-ethyl-2,2,3,3-tetramethyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]azetidine-1-carboximidamide
CID 109452065
N'-ethyl-2,2,3,3-tetramethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboximidamide;hydroiodide
CID 109452102
N'-ethyl-2,2,3,3-tetramethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboximidamide
CID 109452103
N',2,2,3,3-pentamethyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide;hydroiodide
CID 109452148
N',2,2,3,3-pentamethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]azetidine-1-carboximidamide;hydroiodide
CID 109452264
N',2,2,3,3-pentamethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]azetidine-1-carboximidamide
CID 109452265
N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide;hydroiodide
CID 109452578
N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide
CID 109452579
N-ethyl-2,2,3,3-tetramethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]azetidine-1-carboximidamide;hydroiodide
CID 109452760
N'-(2,2-difluoroethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109452779
N-(2,2-difluoroethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109452943

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]azetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]azetidine-1-carboximidamide;hydroiodide (CID 109454341) is N-ethyl-2,2,3,3-tetramethyl-N'-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]azetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-2,2,3,3-tetramethyl-N'-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]azetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-2,2,3,3-tetramethyl-N'-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]azetidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC1CCN(CC(F)(F)F)C1)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N-ethyl-2,2,3,3-tetramethyl-N'-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]azetidine-1-carboximidamide;hydroiodide?
The InChIKey is UFRWBPVWGWVVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31F3N4.HI/c1-6-21-14(24-11-15(2,3)16(24,4)5)22-9-13-7-8-23(10-13)12-17(18,19)20;/h13H,6-12H2,1-5H3,(H,21,22);1H.
What are the key properties of N-ethyl-2,2,3,3-tetramethyl-N'-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]azetidine-1-carboximidamide;hydroiodide?
N-ethyl-2,2,3,3-tetramethyl-N'-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]azetidine-1-carboximidamide;hydroiodide has a molecular weight of 476.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,3,3-tetramethyl-N'-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]azetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109454341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).